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BDBM50243525 (4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide::CHEMBL509363

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1

InChI Key: InChIKey=YRGDPKNQHDGATE-AFEFVFPDSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50243525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50243525
PNG
((4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlo...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H59ClN12O9S2/c1-24(60)38-45(67)57-36(39(50)61)22-69-70-23-37(58-40(62)31(49)18-25-9-13-28(47)14-10-25)44(66)55-34(19-26-11-15-29(16-12-26)53-46(51)68)42(64)56-35(20-27-21-52-32-7-3-2-6-30(27)32)43(65)54-33(41(63)59-38)8-4-5-17-48/h2-3,6-7,9-16,21,24,31,33-38,52,60H,4-5,8,17-20,22-23,48-49H2,1H3,(H2,50,61)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,62)(H,59,63)(H3,51,53,68)/t24-,31-,33+,34+,35-,36+,37-,38+/m1/s1
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PubMed
n/an/a 461n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst5 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50243525
PNG
((4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlo...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H59ClN12O9S2/c1-24(60)38-45(67)57-36(39(50)61)22-69-70-23-37(58-40(62)31(49)18-25-9-13-28(47)14-10-25)44(66)55-34(19-26-11-15-29(16-12-26)53-46(51)68)42(64)56-35(20-27-21-52-32-7-3-2-6-30(27)32)43(65)54-33(41(63)59-38)8-4-5-17-48/h2-3,6-7,9-16,21,24,31,33-38,52,60H,4-5,8,17-20,22-23,48-49H2,1H3,(H2,50,61)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,62)(H,59,63)(H3,51,53,68)/t24-,31-,33+,34+,35-,36+,37-,38+/m1/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst1 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50243525
PNG
((4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlo...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H59ClN12O9S2/c1-24(60)38-45(67)57-36(39(50)61)22-69-70-23-37(58-40(62)31(49)18-25-9-13-28(47)14-10-25)44(66)55-34(19-26-11-15-29(16-12-26)53-46(51)68)42(64)56-35(20-27-21-52-32-7-3-2-6-30(27)32)43(65)54-33(41(63)59-38)8-4-5-17-48/h2-3,6-7,9-16,21,24,31,33-38,52,60H,4-5,8,17-20,22-23,48-49H2,1H3,(H2,50,61)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,62)(H,59,63)(H3,51,53,68)/t24-,31-,33+,34+,35-,36+,37-,38+/m1/s1
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst4 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50243525
PNG
((4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlo...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H59ClN12O9S2/c1-24(60)38-45(67)57-36(39(50)61)22-69-70-23-37(58-40(62)31(49)18-25-9-13-28(47)14-10-25)44(66)55-34(19-26-11-15-29(16-12-26)53-46(51)68)42(64)56-35(20-27-21-52-32-7-3-2-6-30(27)32)43(65)54-33(41(63)59-38)8-4-5-17-48/h2-3,6-7,9-16,21,24,31,33-38,52,60H,4-5,8,17-20,22-23,48-49H2,1H3,(H2,50,61)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,62)(H,59,63)(H3,51,53,68)/t24-,31-,33+,34+,35-,36+,37-,38+/m1/s1
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PubMed
n/an/a 138n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst3 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50243525
PNG
((4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlo...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(N)=O)NC(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C46H59ClN12O9S2/c1-24(60)38-45(67)57-36(39(50)61)22-69-70-23-37(58-40(62)31(49)18-25-9-13-28(47)14-10-25)44(66)55-34(19-26-11-15-29(16-12-26)53-46(51)68)42(64)56-35(20-27-21-52-32-7-3-2-6-30(27)32)43(65)54-33(41(63)59-38)8-4-5-17-48/h2-3,6-7,9-16,21,24,31,33-38,52,60H,4-5,8,17-20,22-23,48-49H2,1H3,(H2,50,61)(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,62)(H,59,63)(H3,51,53,68)/t24-,31-,33+,34+,35-,36+,37-,38+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography


J Med Chem 51: 4030-7 (2008)


Article DOI: 10.1021/jm701618q
BindingDB Entry DOI: 10.7270/Q22J6CSW
More data for this
Ligand-Target Pair